• Korean Journal of Mineralogy and Petrology
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• v.33 no.3
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• pp.143-152
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• 2020

Birnessite is a layered manganese oxide mineral with ~7 Å of d-spacing. Because of its high cation exchange capacity, birnessite greatly impacts the chemical compositions of ground water and fluids in sediment pores. Understanding the cation exchange mechanisms requires atomistic investigations of the crystal structures and coordination environments of hydrated cations in the interlayer. In this study, we conducted classical molecular dynamics (MD) simulations, an atomistic simulation method of computational mineralogy, for triclinic Na-birnessite and K-birnessite whose chemical formula are from previous experiments. We report our MD simulation results of the crystal structures, coordination environments of Na⁺ and K⁺, and the polytypes of birnessite and compare them with available experimental results. The simulation results well reproduced experimental lattice parameters and provided atomic level information for the interlayer cation and water molecule sites that are difficult to distinguish in X-ray experiments. We also report that the polytype of the Mn octahedral sheets is identical between Na- and K-birnessite, but the cation positions differ from each other, demonstrating a correlation between the coordination environment of the interlayer cations and the crystal lattice parameters. This study shows that MD simulations are very promising in elucidating ion exchange reactions of birnessite.

• Journal of the Mineralogical Society of Korea
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• v.30 no.2
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• pp.71-81
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• 2017

Rock properties and the effects of chemicals that were used for conservation were studied for effective conservation treatment of Seated Buddha rock carving, which is composed of grayish white tuff, at Golguram Hermitage, Gyeongju. The rocks contain 3-5% montmorillonite, a swelling mineral and reacting with water, the d spacing of swelling minerals was increased (1.54-2.69%). On the one hand, the physical properties of the rock samples, such as surface hardness, water absorption rate, and porosity improved after the application of ethyl silicate-based stone strengthener. On the other, the interlayer of swelling minerals decreased and greater the of swelling mineral content, the greater is the extent of swelling (4.23-12.12%). When the ethyl silicate-based stone strengthener was applied after pretreatment with a swelling inhibitor, the physical properties were similar to those of the stone strengthener alone. There was no interlayer spacing change of swelling minerals due to swelling inhibition treatment; however, when the stone strengthener was applied after the swelling inhibitor, interlayer changes were similar to those when only the stone strengthener was treated (4.10-11.85%). Though the peak intensity of swelling minerals in X-ray diffraction pattern decreased, the effect of the swelling inhibitor was almost negligible. Therefore, it is not appropriate to use ethyl silicate-based stone strengthener for Golgulam rock containing swelling minerals and supplementing them with a swelling inhibition system is not effective. Because weathering rapidly progresses when swelling minerals contact moisture, for now, measures to prevent water contact, such as expansion of the canopy, are needed in the lower and side parts of the carving.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.68.1-68.1
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• 2012

The best part of graphene is - charge-carriers in it are mass less particles which move in near relativistic speeds. Comparing to other materials, electrons in graphene travel much faster - at speeds of $10^8cm/s$. A graphene sheet is pure enough to ensure that electrons can travel a fair distance before colliding. Electronic devices few nanometers long that would be able to transmit charge at breath taking speeds for a fraction of power compared to present day CMOS transistors. Many researches try to check a possibility to make it a perfect replacement for silicon based devices. Graphene has shown high potential to be used as interconnects in the field of high frequency electrical devices. With all those advantages of graphene, we demonstrate characteristics of electrical and optical properties of graphene such as the effect of graphene geometry on the microwave properties using the measurements of S-parameter in range of 500 MHz - 40 GHz at room temperature condition. We confirm that impedance and resistance decrease with increasing the number of graphene layer and w/L ratio. This result shows proper geometry of graphene to be used as high frequency interconnects. This study also presents the optical properties of graphene oxide (GO), which were deposited in different substrate, or influenced by oxygen plasma, were confirmed using different characterization techniques. 4-6 layers of the polycrystalline GO layers, which were confirmed by High resolution transmission electron microscopy (HRTEM) and electron diffraction analysis, were shown short range order of crystallization by the substrate as well as interlayer effect with an increase in interplanar spacing, which can be attributed to the presence of oxygen functional groups on its layers. X-ray photoelectron Spectroscopy (XPS) and Raman spectroscopy confirms the presence of the $sp^2$ and $sp^3$ hybridization due to the disordered crystal structures of the carbon atoms results from oxidation, and Fourier Transform Infrared spectroscopy (FTIR) and XPS analysis shows the changes in oxygen functional groups with nature of substrate. Moreover, the photoluminescent (PL) peak emission wavelength varies with substrate and the broad energy level distribution produces excitation dependent PL emission in a broad wavelength ranging from 400 to 650 nm. The structural and optical properties of oxygen plasma treated GO films for possible optoelectronic applications were also investigated using various characterization techniques. HRTEM and electron diffraction analysis confirmed that the oxygen plasma treatment results short range order crystallization in GO films with an increase in interplanar spacing, which can be attributed to the presence of oxygen functional groups. In addition, Electron energy loss spectroscopy (EELS) and Raman spectroscopy confirms the presence of the $sp^2$ and $sp^3$ hybridization due to the disordered crystal structures of the carbon atoms results from oxidation and XPS analysis shows that epoxy pairs convert to more stable C=O and O-C=O groups with oxygen plasma treatment. The broad energy level distribution resulting from the broad size distribution of the $sp^2$ clusters produces excitation dependent PL emission in a broad wavelength range from 400 to 650 nm. Our results suggest that substrate influenced, or oxygen treatment GO has higher potential for future optoelectronic devices by its various optical properties and visible PL emission.

• Korean Chemical Engineering Research
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• v.46 no.1
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• pp.106-111
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• 2008

Polypropylene (PP)/corn starch master batch (starch-MB)/silicate composites with different corn starch compositions of 10, 20, 30, 40 and 50 were prepared by melt compounding at $200^{\circ}C$, using lab scale Brabender mixer. The content of silicate was fixed at 5 wt%. The composition of starch-MB in composites was confirmed by the existence of hydroxy group and peak intensity in fourier-transform-infrared (FT-IR) spectrum. The thermal properties of the PP/starch-MB/silicate composites were investigated by differential scanning calorimetry (DSC), and thermogravimetric analyzer (TGA). There was no district change in melting temperature, and TGA curve indicates a decrease in degradation temperature with the increase of starch-MB content. The silicate dispersion of the composites was measured by X-ray diffraction (XRD) and transmission electron microscope (TEM). The degree of silicate dispersion in PP/starch-MB/silicate composites depended on the content of starch-MB. There was detectable change in d-spacing and peak intensity of the composite when the content of starch-MB was higher than 20 wt%. The rheological behavior of the composites was explained by both shear thinning effect and elastic property with the starch-MB amount. These effects were remarkable when the content of starch-MB was higher than 20 wt%. These were confirmed by an oscillatory viscometer at $200^{\circ}C$.

• Proceedings of the Mineralogical Society of Korea Conference
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• 2001.06a
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• pp.45-47
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• 2001

Jeju island is composed mainly of volcanic rocks such as basalts, trachytic andesites, tracytes, and sedimentary rocks. About 80% of Jeju soils are classified as Andisols. The amount of annual precipitation in Jeju island is about 1872mm, which is 1.5 times the annual precipitation of south Korea. There is a significant difference In amount of precipitation with regions even within Jeju island. In study area, the annual amount of rainfall is about 1280mm, the lowest in Jeju island while south part of the island has the annual precipitation of 2056mm, though they are only tens of kilometers apart. The parent materials of soils in study area are pyroclastic rocks and tuffs. The soils of non-andic properties have developed in this area since pedogenic process of pyroclastic materials is strongly influenced by climatic factor, especially precipitation. In order to investigate the mineralogical characteristics of soils, X-ray analysis for <0.2 and 2-0.2$\mu\textrm{m}$ size fractions was performed with ethylene glycol solvation, K-, Mg-saturation, heat treatment(110, 330, 550$^{\circ}C$). Acid-oxalate and DCB(sodium hydrosulfite, sodium citrate, sodium bicarbonate) dissolution method was used to assess tile total amounts or Al, si, and hydroxy interlayer or 2:1 layer silicates. XRD was also applied for samples treated with DCB only and DCB-oxalate sequentially. XRD patterns showed that 2:1 and 1:1 layer silicates were found, which are different from soils of Andisols. Vermiculite, chlorite, hydroxy interlayered minreals, and interstratified minerals(vermiculite/chlorite) were observed in 2-0.2$\mu\textrm{m}$ size fractions. After DCB treatments, ethylene glycolated samples with Mg-saturation showed expanded d-spacing, suggesting the possibility of hydroxy interlayered minerals. The amounts of hydroxy interlayered minerals increased in surface soil. Unlike Andisols, short range ordered minerals such as allophane, imogolite and gibbsite were hardly found. Mica and kaolinte existed in small amounts. Results are summarized in Fig 1 and Fig. 2.

• Carbon letters
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• v.24
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• pp.97-102
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• 2017

Graphite fibers are materials with a high specific modulus that have attracted much interest in the aerospace industry, but their high manufacturing cost and low yield are still problems that prevent their wide applications in practice. This paper presents a laser-based process for graphitization of carbon fiber (CF) and explores the effect of laser radiation on the microstructure of CF. The obtained Raman spectra indicate that the outer surface of CF evolves from turbostratic structures into a three-dimensional ordered state after being irradiated by a laser. The X-ray diffraction data revealed that the growth of crystallite was parallel to the fiber axis, and the interlayer spacing $d_{002}$ decreased from 0.353 to 0.345 nm. The results of scanning electron microscopy revealed that the surface of irradiated CFs was rougher than that of the unirradiated ones and there were scale-like small fragments that had peeled off from the fibers. The tensile modulus increased by 17.51% and the Weibull average tensile strength decreased by 30.53% after being irradiated by a laser. These results demonstrate that the laser irradiation was able to increase the graphitization degree of the CFs, which showed some properties comparable to graphite fibers.

• Journal of the Mineralogical Society of Korea
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• v.26 no.1
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• pp.35-44
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• 2013

Synthetic carbon-coated olivine-like structured lithium iron phosphate ($Li^+Fe^{2+}(PO_4)^{3-}/C$) powder composites were compressed up to 35.0 GPa in the symmetrical diamond anvil cell at room temperature. Bulk modulus of $LiFePO_4/C$ was determined to be $130.1{\pm}10.3$ GPa. New peak appears at the d-spacing of 3.386 ${\AA}$ above 18 GPa, and another new one at 2.854 ${\AA}$ around 35 GPa. The crystallographic symmetry of the sample (i.e. orthorhombic) is apparently retained up to 35 GPa as no clear evidence for the phase transition into spinel structure has been observed. The pressure-induced volume change in the M1 site ($Li^+O_6$) is more significant than those in M2($Fe^{2+}O_6$) and $PO_4$ tetrahedral sites.

• Fashion & Textile Research Journal
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• v.15 no.6
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• pp.985-992
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• 2013

Polytrimethylene terephthalate(PTT) offers several advantageous properties such as good tensile strength, uniformity, stiffness, toughness, UV stability, resilience, stain resistance, outstanding elastic recovery, and dyeability. The effects of annealing temperature on physical properties and the structure of PTT filaments and yarn were investigated by measuring wide-angle X-ray diffraction (WAXD), density, optical birefringence, dynamic visco elasticity, and tensile testing. The intensity of maximum tan ${\delta}$ decreased and the temperature of maximum tan ${\delta}$ shifted to a higher temperature as the annealing temperature of filaments increased; however, it shifted to a lower temperature when the annealing temperature exceeded $130^{\circ}C$. In addition, crystallinity, density and D-spacing of (010) crystal face increased as the annealing temperature increased. Optical birefringence and specific stress were almost constant up to $100^{\circ}C$ and then decreased above $130^{\circ}C$. The shrinkage of PTT filament is 0 in boiling water when annealed above $130^{\circ}C$; consequently, the use of annealed fiber above $130^{\circ}C$ can remove thermal instability when dyeing PTT fiber. In the case of yarns, the thermal stability and physical properties of yarns showed the best effect when the ply number is less than 5, twist number is less than 400tpm, and the annealing time is 20minutes.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.05a
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• pp.11.2-11.2
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• 2011

Polymer based organic photovoltaics have attracted a great deal of attention due to the potential cost-effectiveness of light-weight and flexible solar cells. However, most BHJ polymer solar cells are not thermally stable as subsequent exposure to heat drives further development of the morphology towards a state of macrophase separation in the micrometer scale. Here we would like to show three different approaches for developing new electroactive polymers to improve the thermal stability of the BHJ solar cells, which is a critical problem for the commercialization of these solar cells. For one of the examples, we report a new series of functionalized polythiophene (PT-x) copolymers for use in solution processed organic photovoltaics (OPVs). PT-x copolymers were synthesized from two different monomers, where the ratio of the monomers was carefully controlled to achieve a UV photo-crosslinkable layer while leaving the ${\pi}-{\pi}$ stacking feature of conjugated polymers unchanged. The crosslinking stabilizes PT-x/PCBM blend morphology preventing the macro phase separation between two components, which lead to OPVs with remarkably enhanced thermal stability. The drastic improvement in thermal stabilities is further characterized by microscopy as well as grazing incidence X-ray scattering (GIXS). In the second part of talk, we will discuss the use of block copolymers as active materials for WOLEDs in which phosphorescent emitter isolation can be achieved. We have exploited the use of triarylamine (TPA) oxadiazole (OXA) diblock copolymers (TPA-b-OXA), which have been used as host materials due to their high triplet energy and charge-transport properties enabling a balance of holes and electrons. Organization of phosphorescent domains in TPA-b-OXA block copolymers is demonstrated to yield dual emission for white electroluminescence. Our approach minimizes energy transfer between two colored species by site isolation through morphology control, allowing higher loading concentration of red emitters with improved device performance. Furthermore, by varying the molecular weight of TPA-b-OXA and the ratio of blue to red emitters, we have investigated the effect of domain spacing on the electroluminescence spectrum and device performance.

• Membrane Journal
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• v.15 no.2
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• pp.165-174
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• 2005

Sulfonated poly(styrene-ethylene-butadiene-styrene) (SSEBS)-clay hybrid membranes were prepared by solution method. In the preparation of hybrid membrane, the amount of clay content was fixed to 5 phr and montmorillonite (MMT) was fully exfoliated by the SEBS and it was confirmed by X-ray diffraction method. D-spacing of the characteristic peak from MMT plate in WAXD was fully diminished. Gas permeability, mechanical properties and thermal properties of the SSEBS-clay hybrid membranes were investigated. Gas permeability through the SSEBS-clay hybrid membranes decreased due to increased tortuosity made by exfoliation of clay in SEBS.